Dichloromethane → 8-Chloro-7-isobutylamino-4-[3-(2-methyl-pyridin-4-yl)-phenyl]-1,3-dihydro-benzo[b][1,4]diazepin-2-one

HRID 2339442Notes

Reaction equation

[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[c:9]([NH:20][C:21]([CH2:22][C:23](=[O:5])[c:25]2[cH:26][c:27](-[c:31]3[cH:32][c:33]([CH3:37])[n:34][cH:35][cH:36]3)[cH:28][cH:29][cH:30]2)=[O:38])[cH:10][c:11]([Cl:19])[c:12]([NH:14][CH2:15][CH:16]([CH3:17])[CH3:18])[cH:13]1)([CH3:6])([CH3:24])[CH3:39].[Cl:47][CH2:48][Cl:49].[F:40][C:41]([F:42])([F:43])[C:44]([OH:45])=[O:46]>>[N:7]1=[C:23]([c:25]2[cH:26][c:27](-[c:31]3[cH:32][c:33]([CH3:37])[n:34][cH:35][cH:36]3)[cH:28][cH:29][cH:30]2)[CH2:22][C:21](=[O:38])[NH:20][c:9]2[c:8]1[cH:13][c:12]([NH:14][CH2:15][CH:16]([CH3:17])[CH3:18])[c:11]([Cl:19])[cH:10]2

Participants

Reactant 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 86589279(4-Chloro-5-isobutylamino-2-{3-[3-(2-methyl-pyridin-4-yl)-phenyl]-3-oxo-propionylamino}-phenyl)-carbamic acid tert-butyl ester

Product 1

HCID 223171478-Chloro-7-isobutylamino-4-[3-(2-methyl-pyridin-4-yl)-phenyl]-1,3-dihydro-benzo[b][1,4]diazepin-2-one

Sources & evidence

ORD record: ord-150858549f7b4e228d608b0027070eb9
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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